Re: [AMBER] How to put the restrain on just part of the system.

From: James Kress <>
Date: Mon, 28 Aug 2017 18:33:13 -0400

I am attempting to do qmmm with Amber and Orca. I need to modify the call
that Amber makes to invoke Orca.

I've searched through the source code and cannot find an obvious way to do
this. What part of the code needs to be changed to accomplish this?


Jim Kress

AMBER mailing list
Received on Mon Aug 28 2017 - 16:00:03 PDT
Custom Search